[HTML][HTML] Contributions to Ionic Activity Coefficients: A Review and Comparison of Equations of State with Molecular Simulations

N Novak, F Yang, MD Olsen, X Liang, N von Solms… - Fluid Phase …, 2025 - Elsevier
Advanced equations of state for electrolyte solutions (e-EoS) consist of many contributions
stemming from different intermolecular forces, eg repulsion, dispersion, hydrogen bonding …

[HTML][HTML] Comparisons of equation of state models for electrolytes: e-CPA and e-PPC-SAFT

MD Olsen, GM Kontogeorgis, JC de Hemptinne… - Fluid Phase …, 2023 - Elsevier
Many different models have been published with the aim of describing electrolyte
thermodynamics. In this study two successful Equations of State (EoS) are compared. The …

[HTML][HTML] How to account for the concentration dependency of relative permittivity in the Debye–Hückel and Born equations

GM Silva, X Liang, GM Kontogeorgis - Fluid Phase Equilibria, 2023 - Elsevier
This work discusses the introduction of the concentration dependency of relative permittivity
in the context of activity coefficient models at different stages of the derivation of the models …

Insight into the ionic atmosphere effect: Comparison of theories for electrolytes at the primitive level

JP Simonin, O Bernard - Fluid Phase Equilibria, 2023 - Elsevier
In their seminal paper of 1923, Debye and Hückel provided the first appropriate description
of the effect of ionic strength on the thermodynamic properties of dilute electrolyte solutions …

[HTML][HTML] Theoretical considerations on single and mixed solvent electrolyte solutions

N Novak, GM Kontogeorgis, M Castier… - Fluid Phase Equilibria, 2024 - Elsevier
In this paper, theoretical considerations on electrolyte thermodynamic models are discussed
for single and mixed solvent solutions. A literature review has revealed that for many …

[HTML][HTML] Resurrection of Hückel's idea: Decoupling ion–ion and ion–water terms in activity coefficients via the state-dependent dielectric constant

M Valiskó, D Boda - Fluid Phase Equilibria, 2023 - Elsevier
Although Hückel proposed the basic idea of using a concentration dependent dielectric
constant, ϵ (c), to compute the activity coefficients of ions in electrolytes in 1925 (Hückel …

Influence of ionic strength on the ion activity in concentrated mixed sodium hydroxide-strong electrolyte solutions measured by a junctionless galvanic cell without …

A Lewenstam, J Migdalski, R Filipek - Sensors and Actuators B: Chemical, 2025 - Elsevier
This report demonstrates the first-ever electrochemical method for direct measurement of the
mean ion-activity coefficient in concentrated solutions of sodium hydroxide (NaOH) mixed …

Gatekeeper model for ion selective membranes

BF Severin, TD Hayes - Journal of Membrane Science, 2024 - Elsevier
A two-parameter model describes the resistance of a membrane challenged with different
salt concentrations on either side of the membrane. This model treats the membrane as a …

Solvent effects on the prediction of redox potentials: Application to nitroxides

P Beaujean - Journal of Molecular Liquids, 2024 - Elsevier
This paper investigates the impact of solute-solvent interactions on the redox potentials of
nitroxides, with a focus on ionic interactions caused by the presence of electrolytes found in …